source: src/Potentials/PotentialFactory.hpp@ 72b6d7

Candidate_v1.7.0 stable
Last change on this file since 72b6d7 was 55c494, checked in by Frederik Heber <frederik.heber@…>, 4 years ago

Added GeneratePotentialsAction.

  • this generates all potential combinations for a given fragment.
  • exposed PotentialFactory::getDefaultInstance() for constant instance to be able to gather more information about the potential such as the binding model.
  • DOCU: Added documentation.
  • TEST: Added regression test case.
  • Property mode set to 100644
File size: 2.0 KB
Line 
1/*
2 * PotentialFactory.hpp
3 *
4 * Created on: 30.11.2012
5 * Author: heber
6 */
7
8#ifndef POTENTIALFACTORY_HPP_
9#define POTENTIALFACTORY_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <string>
17#include <iosfwd>
18
19#include "CodePatterns/Singleton.hpp"
20
21#include "Potentials/EmpiricalPotential.hpp"
22#include "Potentials/Specifics/PotentialTypes.hpp"
23#include "Potentials/StreamFactory_EmpiricalPotential.hpp"
24
25/** Class that creates instances of potentials.
26 *
27 * This is a factory pattern.
28 *
29 */
30class PotentialFactory :
31 public Singleton<PotentialFactory>,
32 public StreamFactory<EmpiricalPotential>
33{
34 //!> make Singleton template friend
35 friend class Singleton<PotentialFactory>;
36
37protected:
38
39 /** Returns a default potential to which only we have access.
40 *
41 */
42 EmpiricalPotential* getDefaultPotential(const std::string &_name) const;
43
44public:
45
46 /** Returns a default potential to which only we have access.
47 *
48 */
49 EmpiricalPotential const * const getDefaultPotential(const enum PotentialTypes &_type) const;
50
51
52 /** Creates an instance of the requested potential.
53 *
54 * \param potentialtype key of potential to create
55 * \param charges charges for which the potential is (to be) fitted
56 */
57 EmpiricalPotential *createInstance(
58 const std::string &potentialtype,
59 const SerializablePotential::ParticleTypes_t &charges) const;
60
61 //!> typedef for map to lookup type for a given name
62 typedef std::map< std::string, enum PotentialTypes > NameToType_t;
63
64 //!> map for looking up type to a given name
65 static NameToType_t NameToType;
66
67 //!> typedef for map to lookup name for a given type
68 typedef std::map< enum PotentialTypes,std::string > TypeToName_t;
69
70 //!> map for looking up type to a given name
71 static TypeToName_t TypeToName;
72
73 static enum PotentialTypes getTypeForName(const std::string &_name);
74
75 static const std::string & getNameForType(enum PotentialTypes _type);
76
77private:
78 PotentialFactory() {}
79 ~PotentialFactory() {}
80};
81
82#endif /* POTENTIALFACTORY_HPP_ */
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